Molecule

ID:34151

General Information
Structure
Molecular Formula
C₈H₁₄N₂O₄
Molecular Mass
202.20776
Exact Mass
202.09535694
Charge
0
InChI
InChI=1S/C8H14N2O4/c11-7(12)5-6(8(13)14)10-3-1-9-2-4-10/h6,9H,1-5H2,(H,11,12)(H,13,14)
InChIKey
GVRXFKQNZUWVAF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1CCNCC1)CC(=O)O
Isomeric Smiles
N1CCN(CC1)C(C(=O)O)CC(=O)O
Calculated Properties
JChem
Acid pKa
1.3457098
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-4.309979
LogD (pH = 7.4)
-5.8466997
Log P
-4.227705
Molar Refractivity
47.3574
Polarizability
18.947182
Polar Surface Area
89.87
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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